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GPCR

NameSubstance-P receptor
SpeciesRattus norvegicus (Rat)
GeneTacr1
SynonymTAC1R
Substance P receptor
SPR
NK1R
NK1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length407
Amino acid sequenceMDNVLPMDSDLFPNISTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAHKRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTISTVVGAHEEEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
UniProtP14600
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4027
IUPHAR360
DrugBankN/A

Ligand

NameCHEMBL3596460
Molecular formulaC30H28F3NO
IUPAC name4-[[3-naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
Molecular weight475.555
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP7.1
SynonymsSCHEMBL13404086
BDBM50106371
Inchi KeySSAVZJUOGAUDHO-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H28F3NO/c31-30(32,33)26-18-22(17-24(19-26)28-12-6-8-23-7-4-5-11-27(23)28)20-35-21-29(13-15-34-16-14-29)25-9-2-1-3-10-25/h1-12,17-19,34H,13-16,20-21H2
PubChem CID24782658
ChEMBLCHEMBL3596460
IUPHARN/A
BindingDB50106371
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50540.0 nMPMID26048800BindingDB

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